chempirical

Syrosingopine

C35H42N2O11CAS 84-36-6666.72 g/mol

Open in Covalent MOL file
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CarbonateEsterEtherTertiary amine

Properties

Molecular formula
C35H42N2O11
Molar mass
666.72 g/mol
Exact mass
666.2789 Da
Melting point
177 °C
logP
4.70Crippen estimate
Polar surface area
144.1 Ų
H-bond donors / acceptors
1 / 12
Rotatable bonds
9
Stereocentres
R, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
84-36-6
SMILES
CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC
InChIKey
ZCDNRPPFBQDQHR-SSYATKPKSA-N
InChI
InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28-,29+,32+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Isotense
  • Yohimban-16-carboxylic acid, 18-[[4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoyl]oxy]-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)-
  • 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy-, methyl ester, 4-hydroxy-3,5-dimethoxybenzoate (ester) ethyl carbonate (ester)
  • Reserpic acid, methyl ester, ester with syringic acid, ethyl carbonate
  • Carbethoxysyringoyl methylreserpate
  • Methyl carbethoxysyringoyl reserpate
  • Methyl reserpate ester of syringic acid ethyl carbonate
  • Singoserp
  • Syringic acid ethyl carbonate ester with methyl reserpate
  • Su 3118
  • Syrosingopin
  • Syringopine
  • Siringina
  • Seniramin
  • Londomin
  • Raunova
  • NSC 77030
  • SML 1908

Work with Syrosingopine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Reserpine50-55-584 % similar Deserpidine131-01-172 % similar Yohimbine146-48-543 % similar Rauwolscine hydrochloride6211-32-141 % similar Yohimbine hydrochloride65-19-041 % similar Ibogaine83-74-936 % similar (-)-Mitragynine4098-40-234 % similar Ajmalicine483-04-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook